QUILF. Andersen, Lindsley and Davidson's PASCAL program to assess equilibria
among Fe- Mg-Ti oxides, pyroxenes, olivine, and quartz. Described in
Computers and Geosciences, v. 19, p. 1333-1350. Available by ftp.
GIBBS from Frank Spear. The Gibbs method is a procedure that computes changes
in a set of dependent thermodynamic variables given the changes in a set of
independent thermodynamic variables. The thermodynamic variables are the
derivatives of T (temperature), P (pressure), X (composition) and, if desired,
M (the number of moles of a phase in an assemblage). For Macintosh.
TWQ Web page. Rob Berman's
thermobarometry program, data base, and activity calculations. For DOS.
Software for calculating
the volume and fugacity of CO2 at specified P and T using the Mäder and Berman (1991)
equation of state.
Cambridge Earth Sciences Software or
THERMOCALC
Web page. Tim Holland's and Roger Powell's THERMOCALC program and
data base, activity calculations and more. Versions for Macintosh and DOS.
Includes a variety of activity models. Dave Waters at Oxford is building
a useful
Tutorial on Mineral Thermobarometry based on this software.
BAYES homepage Bayes is an internally consistent thermodynamic dataset and an
interactive program to generate petrological phase diagrams.
THERIAC-DOMINO and related programs. Web page from
Christian de Capitani.
Calculation of equilibrium assemblages, thermodynamic properties, and various
types of phase diagram. Uses the TWQ data base. Fortran source.
WEBINVEQ Terry Gordon's
experimental Web system for performing thermobarometry calculations over the Web.
Currently uses the TWQ 1.02 data base.
PERPLEX Web page.
Jamie Connolly's Fortran programs for calculating and displaying petrologic
phase equilibria. Source and binaries for many platforms.
GPT An Excel Spreadsheet for
thermobarometric calculations in metapelitic rocks. 905K in sea.hqx (Mac) format. J.Reche & F.J.
Martinez. Described in Computers &
Geosciences Vol.22, No. 7, pp. 775-784.
SUPCRT 92. A software package for calculating the standard molal thermodynamic
properties of minerals, gases, aqueous species and reactions - by James W. Johnson,
Eric H. Oelkers and Harold C. Helgeson. Described in
Computers and Geosciences, v.18, p. 899-947.
Available by mail from:
Laboratory of Theoretical Geochemistry
Department of Geology
University of California
Berkeley, CA 94720, USA
Updates to the data base are at the
GEOPIG Web page.
EQ3/6
Web page. Software for modeling geochemical interactions in water-rock sytems.
PHREEQEV: The incorporation of a version of Model V for organic complexation in
aqueous solutions into the Speciation Code PHREEQE.
Computers and Geosciences, v. 22, 109-116. Available by ftp.
MBSSAS; a code for the computation of Margules parameters and equilibrium
relations in the binary solid-solution aqueous-solution systems. Described in
Computers and Geosciences, v. 17, p. 907-966.
Available by ftp.
SGTE. Scientific Group
Thermodata Europe, a consortium of centres engaged in the
development of thermodynamic databanks for inorganic and metallurgical systems.
F*A*C*T Web page.
Originally an academic project, F*A*C*T is now a commercial data base and computation
system from
École Polytechnique de Montréal.
Many geologically important phases and phase diagram capabilities. FACT
and ChemSage (below) have recently joined forces.
ChemSage
from GTT-Technologies, available from ARSoftware.
CHESS is a complete geochemical calculation tool developed
for the specific purpose of coupling with hydrodynamic models.
MINEQL+ Web page.
Has downloadable DOS and Windows demos for water - rock equilibria.
EQS4WIN PC-Windows thermochemical
equilibrium package that solves a broad range of equilibrium problems using the
unified approach and algorithms of Smith and Missen. It contains numerous
worked examples and an extensive Helpfile. A free Lite version is available
for download.
JESS Joint Expert
Speciation System by Peter May and Kevin Murray. Free online examination
of the data base.
The Geochemist's Workbench
is a set of software tools for manipulating chemical
reactions, calculating stability diagrams and the equilibrium states of natural waters,
tracing reaction processes, and plotting the results of these calculations.
HCh
Yura Shvarov's software package for geochemical modeling. Developed in
collaboration with AGSO.
Thermo Calc. Web page.
Not to be confused with THERMOCALC (above). This is a very large commercial system.